3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one

C11H18N2O2 — CID 112589434

IUPAC3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one
SMILESCC(C)(C)OCCn1ccc(=O)c(N)c1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-7-6-13-5-4-10(14)9(12)8-13/h4-5,8H,6-7,12H2,1-3H3
InChIKeyUXQXAFDOECAUAK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.25
Rot. Bonds3

About 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one

3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one (PubChem CID 112589434) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one
PubChem CID112589434
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one
SMILESCC(C)(C)OCCn1ccc(=O)c(N)c1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-7-6-13-5-4-10(14)9(12)8-13/h4-5,8H,6-7,12H2,1-3H3
InChIKeyUXQXAFDOECAUAK-UHFFFAOYSA-N
XLogP1.25
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one (CID 112589434) is 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one is CC(C)(C)OCCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one?
The InChIKey is UXQXAFDOECAUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)15-7-6-13-5-4-10(14)9(12)8-13/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one?
3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one is sourced from PubChem (CID 112589434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).